Crystallography Open Database

Information card for entry 7020731

7020730 << 7020731 >> 7020732

Preview

Coordinates	7020731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H66 Cl2 F12 O14 Pd6
Calculated formula	C44 H66 Cl2 F12 O14 Pd6
Title of publication	Palladium ketonyl carboxylate complexes - potential models of polynuclear intermediates in olefin oxidation: formation and X-ray structure of Pd(6)(μ-Cl)(2+x)(μ-CF(3)CO(2))(4)(μ,κ(2)-CH(2)C(O)CMe(3))(6-x) (x = 0, 2).
Authors of publication	Shishilov, Oleg N.; Podobedov, Roman E.; Rezinkova, Yaroslavna N.; Churakov, Andrei V.; Efimenko, Inessa A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	5
Pages of publication	1338 - 1341
a	25.986 ± 0.004 Å
b	14.314 ± 0.002 Å
c	19.812 ± 0.003 Å
α	90°
β	113.231 ± 0.002°
γ	90°
Cell volume	6771.9 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.592
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179912 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07.	7020731.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020731.cif
73653	2013-02-20	cif/ Adding structures of 7020731, 7020732 via cif-deposit CGI script.	7020731.cif